3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole

C192H116N6 — CID 159504856

About 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole

3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole (PubChem CID 159504856) has the molecular formula C192H116N6 and a molecular weight of 2507.08 g/mol. Its IUPAC name is 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole
• PubChem CID: 159504856
• Molecular Formula: C192H116N6
• Molecular Weight: 2507.08 g/mol
• Exact Mass: 2504.93
• IUPAC Name: 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole
• SMILES: c1cc(-c2cc3c4ccccc4c4ccccc4c3c3c2ccc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc7c8ccccc8c8ccccc8c7c7c6ccc6ccccc67)cc5)ccc43)cccc2c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7c(c6)-c6cc8ccccc8c8cccc-7c68)cc5)ccc43)cccc2c1
• InChI: InChI=1S/2C66H40N2.C60H36N2/c1-3-20-47-41(15-1)17-14-30-60(47)68-62-29-12-10-26-53(62)58-39-44(33-36-64(58)68)43-32-35-63-57(38-43)52-25-9-11-28-61(52)67(63)46-19-13-18-45(37-46)56-40-59-51-24-6-5-22-49(51)50-23-7-8-27-54(50)66(59)65-48-21-4-2-16-42(48)31-34-55(56)65;1-3-17-47-41(14-1)16-13-27-60(47)68-62-26-12-10-23-53(62)58-39-45(32-37-64(58)68)44-31-36-63-57(38-44)52-22-9-11-25-61(52)67(63)46-33-28-43(29-34-46)56-40-59-51-21-6-5-19-49(51)50-20-7-8-24-54(50)66(59)65-48-18-4-2-15-42(48)30-35-55(56)65;1-4-15-45-38(11-1)13-9-22-55(45)62-57-21-8-6-17-48(57)53-35-41(27-32-59(53)62)40-26-31-58-52(34-40)47-16-5-7-20-56(47)61(58)43-28-23-37(24-29-43)39-25-30-46-50-19-10-18-49-44-14-3-2-12-42(44)36-54(60(49)50)51(46)33-39/h2*1-40H;1-36H
• InChIKey: LZVVDKUMJRGFFC-UHFFFAOYSA-N
• XLogP: 52.59
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2507.08
LogP ≤ 5	52.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole?

The IUPAC name of 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole (CID 159504856) is 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole.

What is the SMILES notation for 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole?

The canonical SMILES for 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole is c1cc(-c2cc3c4ccccc4c4ccccc4c3c3c2ccc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc7c8ccccc8c8ccccc8c7c7c6ccc6ccccc67)cc5)ccc43)cccc2c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7c(c6)-c6cc8ccccc8c8cccc-7c68)cc5)ccc43)cccc2c1.

What is the InChIKey of 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole?

The InChIKey is LZVVDKUMJRGFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H40N2.C60H36N2/c1-3-20-47-41(15-1)17-14-30-60(47)68-62-29-12-10-26-53(62)58-39-44(33-36-64(58)68)43-32-35-63-57(38-43)52-25-9-11-28-61(52)67(63)46-19-13-18-45(37-46)56-40-59-51-24-6-5-22-49(51)50-23-7-8-27-54(50)66(59)65-48-21-4-2-16-42(48)31-34-55(56)65;1-3-17-47-41(14-1)16-13-27-60(47)68-62-26-12-10-23-53(62)58-39-45(32-37-64(58)68)44-31-36-63-57(38-44)52-22-9-11-25-61(52)67(63)46-33-28-43(29-34-46)56-40-59-51-21-6-5-19-49(51)50-20-7-8-24-54(50)66(59)65-48-18-4-2-15-42(48)30-35-55(56)65;1-4-15-45-38(11-1)13-9-22-55(45)62-57-21-8-6-17-48(57)53-35-41(27-32-59(53)62)40-26-31-58-52(34-40)47-16-5-7-20-56(47)61(58)43-28-23-37(24-29-43)39-25-30-46-50-19-10-18-49-44-14-3-2-12-42(44)36-54(60(49)50)51(46)33-39/h2*1-40H;1-36H.

What are the key properties of 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole?

3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole has a molecular weight of 2507.08 g/mol, XLogP of 52.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazole is sourced from PubChem (CID 159504856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).